Materials Data on SbRu2C6Cl7O6 by Materials Project

Abstract

(RuC3O3Cl2)2SbCl3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four antimony trichloride molecules and four RuC3O3Cl2 clusters. In two of the RuC3O3Cl2 clusters, Ru3+ is bonded to three C+2.67+ and three Cl1- atoms to form distorted edge-sharing RuC3Cl3 octahedra. There is one shorter (1.90 Å) and two longer (1.91 Å) Ru–C bond length. There are a spread of Ru–Cl bond distances ranging from 2.43–2.49 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Ru3+ atoms. In two of the RuC3O3Cl2 clusters, Ru3+ is bonded to three C+2.67+ and three Cl1- atoms to form distorted edge-sharing RuC3Cl3 octahedra. There are a spread of Ru–C bond distances ranging from 1.89–1.92 Å. There are one shorter (2.42 Å) and two longer (2.49 Å) Ru–Cl bond lengths. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Ru3+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ru3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru3+ atom.